2-(cyclohexylamino)-2-methylpropanenitrile

C10H18N2 — CID 22682

IUPAC2-(cyclohexylamino)-2-methylpropanenitrile
SMILESCC(C)(C#N)NC1CCCCC1
InChIInChI=1S/C10H18N2/c1-10(2,8-11)12-9-6-4-3-5-7-9/h9,12H,3-7H2,1-2H3
InChIKeyBEZHOMANQFCBNG-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.21
Rot. Bonds2

About 2-(cyclohexylamino)-2-methylpropanenitrile

2-(cyclohexylamino)-2-methylpropanenitrile (PubChem CID 22682) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-methylpropanenitrile
PubChem CID22682
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-(cyclohexylamino)-2-methylpropanenitrile
SMILESCC(C)(C#N)NC1CCCCC1
InChIInChI=1S/C10H18N2/c1-10(2,8-11)12-9-6-4-3-5-7-9/h9,12H,3-7H2,1-2H3
InChIKeyBEZHOMANQFCBNG-UHFFFAOYSA-N
XLogP2.21
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(cyclohexylamino)-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-methylpropanenitrile?
The IUPAC name of 2-(cyclohexylamino)-2-methylpropanenitrile (CID 22682) is 2-(cyclohexylamino)-2-methylpropanenitrile.
What is the SMILES notation for 2-(cyclohexylamino)-2-methylpropanenitrile?
The canonical SMILES for 2-(cyclohexylamino)-2-methylpropanenitrile is CC(C)(C#N)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-2-methylpropanenitrile?
The InChIKey is BEZHOMANQFCBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(2,8-11)12-9-6-4-3-5-7-9/h9,12H,3-7H2,1-2H3.
What are the key properties of 2-(cyclohexylamino)-2-methylpropanenitrile?
2-(cyclohexylamino)-2-methylpropanenitrile has a molecular weight of 166.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-methylpropanenitrile is sourced from PubChem (CID 22682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).